General analytical expressions are obtained for the potential energy of the interaction between an electron and a molecule and the 2L-pole electric moments of the molecules by the Hartree-Fock-Rutan method. These formulas are used for a machine calculation of the interaction potential between an electron and hydrogen and nitrogen molecules with different electron distances from these molecules and also of the electric multipole moments of a series of diatomic molecules with L = 0, 1, 2, 3.
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Guseinov, I.I., Mursalov, T.M. & Aliev, V.T. Potential energy of interaction between an electron and a molecule on the basis of slater atomic orbitals. Soviet Physics Journal 28, 220–224 (1985). https://doi.org/10.1007/BF00895909
- Potential Energy
- Interaction Potential
- General Analytical Expression